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PyDISH No: 10056

PDB: 4v3u,
chainID: D, resSeq: 750
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.3 Å
origomeric count: 4

axial ligand #1: CYS

chainID: D,
resSeq: 420,
Coordination distance[Å]: 2.301
molecule: NITRIC OXIDE SYNTHASE, BRAIN
Organism: HOMO SAPIENS

axial ligand #2: EG8

chainID: D,
resSeq: 800,
Coordination distance[Å]: 2.418
molecule: N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}-3-(pyridin-3-yl)propan-1-amine

List of other hemes in pdb:4v3u

ID of heme Distortion Axial ligands on heme Function & structure
4v3u-A-750
sad. -0.49
ruf. -0.67
dom. +0.31
bre. -0.20
CYS chainID: A,
resSeq: 420,
molecule: NITRIC OXIDE SYNTHASE, BRAIN
oxidoreductase
oligomeric count: 4
pocket vol.: 497.0 Å3
d(Fe-oop): 0.049 Å
EG8 chainID: A, resSeq: 800,
molecule: N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}-3-(pyridin-3-yl)propan-1-amine
4v3u-B-750
sad. -0.51
ruf. -0.80
dom. +0.27
bre. -0.16
CYS chainID: B,
resSeq: 420,
molecule: NITRIC OXIDE SYNTHASE, BRAIN
oxidoreductase
oligomeric count: 4
pocket vol.: 498.0 Å3
d(Fe-oop): 0.163 Å
EG8 chainID: B, resSeq: 800,
molecule: N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}-3-(pyridin-3-yl)propan-1-amine
4v3u-C-750
sad. -0.55
ruf. -0.94
dom. +0.32
bre. -0.11
CYS chainID: C,
resSeq: 420,
molecule: NITRIC OXIDE SYNTHASE, BRAIN
oxidoreductase
oligomeric count: 4
pocket vol.: 514.0 Å3
d(Fe-oop): 0.006 Å
EG8 chainID: C, resSeq: 800,
molecule: N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}-3-(pyridin-3-yl)propan-1-amine